(2S)-4-(5-methyl-1-quinolin-5-yltriazole-4-carbonyl)morpholine-2-carboxylic acid

C18H17N5O4 — CID 125120290

IUPAC(2S)-4-(5-methyl-1-quinolin-5-yltriazole-4-carbonyl)morpholine-2-carboxylic acid
SMILESCc1c(C(=O)N2CCO[C@H](C(=O)O)C2)nnn1-c1cccc2ncccc12
InChIInChI=1S/C18H17N5O4/c1-11-16(17(24)22-8-9-27-15(10-22)18(25)26)20-21-23(11)14-6-2-5-13-12(14)4-3-7-19-13/h2-7,15H,8-10H2,1H3,(H,25,26)/t15-/m0/s1
InChIKeyKXHNHGDTGAWALJ-HNNXBMFYSA-N
MW367.37 g/mol
LogP1.05
Rot. Bonds3

About (2S)-4-(5-methyl-1-quinolin-5-yltriazole-4-carbonyl)morpholine-2-carboxylic acid

(2S)-4-(5-methyl-1-quinolin-5-yltriazole-4-carbonyl)morpholine-2-carboxylic acid (PubChem CID 125120290) has the molecular formula C18H17N5O4 and a molecular weight of 367.37 g/mol. Its IUPAC name is (2S)-4-(5-methyl-1-quinolin-5-yltriazole-4-carbonyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-(5-methyl-1-quinolin-5-yltriazole-4-carbonyl)morpholine-2-carboxylic acid
PubChem CID125120290
Molecular FormulaC18H17N5O4
Molecular Weight367.37 g/mol
Exact Mass367.13
IUPAC Name(2S)-4-(5-methyl-1-quinolin-5-yltriazole-4-carbonyl)morpholine-2-carboxylic acid
SMILESCc1c(C(=O)N2CCO[C@H](C(=O)O)C2)nnn1-c1cccc2ncccc12
InChIInChI=1S/C18H17N5O4/c1-11-16(17(24)22-8-9-27-15(10-22)18(25)26)20-21-23(11)14-6-2-5-13-12(14)4-3-7-19-13/h2-7,15H,8-10H2,1H3,(H,25,26)/t15-/m0/s1
InChIKeyKXHNHGDTGAWALJ-HNNXBMFYSA-N
XLogP1.05
TPSA110.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3-hydroxyazetidin-1-yl)-(5-methyl-1-quinolin-5-yltriazol-4-yl)methanone
CID 71919997
[3-(methylaminomethyl)pyrrolidin-1-yl]-(5-methyl-1-quinolin-5-yltriazol-4-yl)methanone;dihydrochloride
CID 119541912
[4-(methylaminomethyl)piperidin-1-yl]-(5-methyl-1-quinolin-5-yltriazol-4-yl)methanone;dihydrochloride
CID 119546412
cis-(1S,3R)-3-[(5-methyl-1-quinolin-5-yltriazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120676308
(2R)-N-methyl-1-(5-methyl-1-quinolin-5-yltriazole-4-carbonyl)pyrrolidine-2-carboxamide
CID 95175654
[2-(1-aminoethyl)piperidin-1-yl]-(5-methyl-1-quinolin-5-yltriazol-4-yl)methanone;dihydrochloride
CID 119437288
1-[(5-methyl-1-quinolin-5-yltriazole-4-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 120530849
N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methyl-1-quinolin-5-yltriazole-4-carboxamide
CID 75462810
4-(2-ethoxypyridine-3-carbonyl)morpholine-2-carboxylic acid
CID 119239609
4-(2,6-dimethylbenzoyl)morpholine-2-carboxylic acid
CID 103925683
(3-methylpiperazin-1-yl)-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone
CID 119577878
(3S)-1-(5-methyl-1-quinolin-6-yltriazole-4-carbonyl)piperidine-3-carboxylic acid
CID 120514143

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(5-methyl-1-quinolin-5-yltriazole-4-carbonyl)morpholine-2-carboxylic acid?
The IUPAC name of (2S)-4-(5-methyl-1-quinolin-5-yltriazole-4-carbonyl)morpholine-2-carboxylic acid (CID 125120290) is (2S)-4-(5-methyl-1-quinolin-5-yltriazole-4-carbonyl)morpholine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-(5-methyl-1-quinolin-5-yltriazole-4-carbonyl)morpholine-2-carboxylic acid?
The canonical SMILES for (2S)-4-(5-methyl-1-quinolin-5-yltriazole-4-carbonyl)morpholine-2-carboxylic acid is Cc1c(C(=O)N2CCO[C@H](C(=O)O)C2)nnn1-c1cccc2ncccc12.
What is the InChIKey of (2S)-4-(5-methyl-1-quinolin-5-yltriazole-4-carbonyl)morpholine-2-carboxylic acid?
The InChIKey is KXHNHGDTGAWALJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H17N5O4/c1-11-16(17(24)22-8-9-27-15(10-22)18(25)26)20-21-23(11)14-6-2-5-13-12(14)4-3-7-19-13/h2-7,15H,8-10H2,1H3,(H,25,26)/t15-/m0/s1.
What are the key properties of (2S)-4-(5-methyl-1-quinolin-5-yltriazole-4-carbonyl)morpholine-2-carboxylic acid?
(2S)-4-(5-methyl-1-quinolin-5-yltriazole-4-carbonyl)morpholine-2-carboxylic acid has a molecular weight of 367.37 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(5-methyl-1-quinolin-5-yltriazole-4-carbonyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 125120290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).